2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-hydroxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-hydroxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-hydroxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0510 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-hydroxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 505 |
| Molecular Formula: | C25 H21 Cl N6 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)O)n2c(N1)nc(n2)SCc1ccccc1[Cl])C(Nc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5269 |
| logD: | 4.5256 |
| logSw: | -4.3558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.726 |
| InChI Key: | ADWBKEGSTQRXSE-QFIPXVFZSA-N |